4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline

C17H13N3S — CID 56869777

IUPAC4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline
SMILESc1csc(Cn2ccnc2-c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13N3S/c1-2-6-16-14(5-1)15(7-8-18-16)17-19-9-10-20(17)12-13-4-3-11-21-13/h1-11H,12H2
InChIKeyUCFDPODFSJWMKK-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.21
Rot. Bonds3

About 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline

4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline (PubChem CID 56869777) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline.

Molecular Properties

Compound Name4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline
PubChem CID56869777
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline
SMILESc1csc(Cn2ccnc2-c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13N3S/c1-2-6-16-14(5-1)15(7-8-18-16)17-19-9-10-20(17)12-13-4-3-11-21-13/h1-11H,12H2
InChIKeyUCFDPODFSJWMKK-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline?
The IUPAC name of 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline (CID 56869777) is 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline.
What is the SMILES notation for 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline?
The canonical SMILES for 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline is c1csc(Cn2ccnc2-c2ccnc3ccccc23)c1.
What is the InChIKey of 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline?
The InChIKey is UCFDPODFSJWMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-6-16-14(5-1)15(7-8-18-16)17-19-9-10-20(17)12-13-4-3-11-21-13/h1-11H,12H2.
What are the key properties of 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline?
4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline has a molecular weight of 291.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(thiophen-2-ylmethyl)imidazol-2-yl]quinoline is sourced from PubChem (CID 56869777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).